1-(bromomethyl)-2-chloro-4,5-difluorobenzene

• ChemBase ID: 296250
• Molecular Formular: C7H4BrClF2
• Molecular Mass: 241.4604664
• Monoisotopic Mass: 239.91529625
• SMILES: c1c(c(cc(c1F)F)Cl)CBr
• Canonical SMILES: BrCc1cc(F)c(cc1Cl)F
• InChI: InChI=1S/C7H4BrClF2/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2
• InChIKey: XXVGKTKQAYRRPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-2-chloro-4,5-difluorobenzene
• IUPAC Traditional name: 1-(bromomethyl)-2-chloro-4,5-difluorobenzene
• Synonyms: 2-Chloro-4,5-difluorobenzyl bromide; 2-氯-4,5-二氟溴化苄

Database IDs

• CAS Number: 874285-21-9
• MDL Number: MFCD06660158
• PubChem SID: 180681781
• PubChem CID: 17750747

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6354318
• LogD (pH = 7.4): 3.6354318
• Log P: 3.6354318
• Molar Refractivity: 44.146 cm^3
• Polarizability: 16.558218 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 97%